(E)-4-thiophen-3-ylbut-3-enoic acid

C8H8O2S — CID 23369401

IUPAC(E)-4-thiophen-3-ylbut-3-enoic acid
SMILESO=C(O)C/C=C/c1ccsc1
InChIInChI=1S/C8H8O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h1-2,4-6H,3H2,(H,9,10)/b2-1+
InChIKeyGDKRSLJYBJCQKC-OWOJBTEDSA-N
MW168.22 g/mol
LogP2.24
Rot. Bonds3

About (E)-4-thiophen-3-ylbut-3-enoic acid

(E)-4-thiophen-3-ylbut-3-enoic acid (PubChem CID 23369401) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is (E)-4-thiophen-3-ylbut-3-enoic acid.

Molecular Properties

Compound Name(E)-4-thiophen-3-ylbut-3-enoic acid
PubChem CID23369401
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name(E)-4-thiophen-3-ylbut-3-enoic acid
SMILESO=C(O)C/C=C/c1ccsc1
InChIInChI=1S/C8H8O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h1-2,4-6H,3H2,(H,9,10)/b2-1+
InChIKeyGDKRSLJYBJCQKC-OWOJBTEDSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-thiophen-3-ylbut-3-enoic acid?
The IUPAC name of (E)-4-thiophen-3-ylbut-3-enoic acid (CID 23369401) is (E)-4-thiophen-3-ylbut-3-enoic acid.
What is the SMILES notation for (E)-4-thiophen-3-ylbut-3-enoic acid?
The canonical SMILES for (E)-4-thiophen-3-ylbut-3-enoic acid is O=C(O)C/C=C/c1ccsc1.
What is the InChIKey of (E)-4-thiophen-3-ylbut-3-enoic acid?
The InChIKey is GDKRSLJYBJCQKC-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H8O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h1-2,4-6H,3H2,(H,9,10)/b2-1+.
What are the key properties of (E)-4-thiophen-3-ylbut-3-enoic acid?
(E)-4-thiophen-3-ylbut-3-enoic acid has a molecular weight of 168.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-thiophen-3-ylbut-3-enoic acid is sourced from PubChem (CID 23369401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).